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2-Fluoro-3,5-bis-(2-oxopyrrolidin-1-yl)benzoic Acid → N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-2-fluoro-3,5-bis(2-oxopyrrolidin-1-yl)benzamide

HRID 1206160
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HRID 1206160 반응식
[CH2:1]([CH:2]([NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][c:16]([N:17]2[CH2:18][CH2:19][CH2:20][C:21]2=[O:22])[cH:23]1)[CH:24]([OH:25])[CH2:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:66]12[CH:67]([NH:73][C:74]([CH:75]([CH2:76][CH:77]([CH:78]([CH2:79][c:80]3[cH:81][cH:82][cH:83][cH:84][cH:85]3)[NH2:86])[OH:87])[CH3:88])=[O:89])[CH2:68][CH:69]([CH2:70][CH2:71]1)[CH2:72]2.[F:44][c:45]1[c:46]([C:47](=[O:48])[OH:49])[cH:50][c:51]([N:60]2[C:61](=[O:65])[CH2:62][CH2:63][CH2:64]2)[cH:52][c:53]1[N:54]1[C:55](=[O:59])[CH2:56][CH2:57][CH2:58]1>>[F:44][c:45]1[c:46]([C:47](=[O:49])[NH:86][CH:78]([CH:77]([CH2:76][CH:75]([C:74]([NH:73][CH:67]2[CH:66]3[CH2:71][CH2:70][CH:69]([CH2:68]2)[CH2:72]3)=[O:89])[CH3:88])[OH:87])[CH2:79][c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:50][c:51]([N:60]2[C:61](=[O:65])[CH2:62][CH2:63][CH2:64]2)[cH:52][c:53]1[N:54]1[C:55](=[O:59])[CH2:56][CH2:57][CH2:58]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 222530082-Fluoro-3,5-bis-(2-oxopyrrolidin-1-yl)benzoic AcidHCID 22253049N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-phenylbenzamideHCID 1784505995-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxy-2-methyl-6-phenylhexanamide

생성물 1

HCID 22253063N-[6-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-2-fluoro-3,5-bis(2-oxopyrrolidin-1-yl)benzamide

출처 및 근거

ORD 기록
ord-081ab8e07c40460dbf4e7be3f99d4500
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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